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JDFTx: software for joint density-functional theory.
SoftwareX. 2017;6:278-284. doi: 10.1016/j.softx.2017.10.006. Epub 2017 Nov 14.
SoftwareX. 2017.
PMID: 29892692
Free PMC article.
A computationally efficacious free-energy functional for studies of inhomogeneous liquid water.
Sundararaman R, Letchworth-Weaver K, Arias TA.
Sundararaman R, et al. Among authors: letchworth weaver k.
J Chem Phys. 2012 Jul 28;137(4):044107. doi: 10.1063/1.4737392.
J Chem Phys. 2012.
PMID: 22852597
Item in Clipboard
Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways.
Mathew K, Sundararaman R, Letchworth-Weaver K, Arias TA, Hennig RG.
Mathew K, et al. Among authors: letchworth weaver k.
J Chem Phys. 2014 Feb 28;140(8):084106. doi: 10.1063/1.4865107.
J Chem Phys. 2014.
PMID: 24588147
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A recipe for free-energy functionals of polarizable molecular fluids.
Sundararaman R, Letchworth-Weaver K, Arias TA.
Sundararaman R, et al. Among authors: letchworth weaver k.
J Chem Phys. 2014 Apr 14;140(14):144504. doi: 10.1063/1.4870653.
J Chem Phys. 2014.
PMID: 24735302
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Spicing up continuum solvation models with SaLSA: the spherically averaged liquid susceptibility ansatz.
Sundararaman R, Schwarz KA, Letchworth-Weaver K, Arias TA.
Sundararaman R, et al. Among authors: letchworth weaver k.
J Chem Phys. 2015 Feb 7;142(5):054102. doi: 10.1063/1.4906828.
J Chem Phys. 2015.
PMID: 25662631
Item in Clipboard
Improving accuracy of electrochemical capacitance and solvation energetics in first-principles calculations.
Sundararaman R, Letchworth-Weaver K, Schwarz KA.
Sundararaman R, et al. Among authors: letchworth weaver k.
J Chem Phys. 2018 Apr 14;148(14):144105. doi: 10.1063/1.5024219.
J Chem Phys. 2018.
PMID: 29655358
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Structure of the Photo-catalytically Active Surface of SrTiO3.
Plaza M, Huang X, Ko JY, Shen M, Simpson BH, Rodríguez-López J, Ritzert NL, Letchworth-Weaver K, Gunceler D, Schlom DG, Arias TA, Brock JD, Abruña HD.
Plaza M, et al. Among authors: letchworth weaver k.
J Am Chem Soc. 2016 Jun 29;138(25):7816-9. doi: 10.1021/jacs.6b03338. Epub 2016 Jun 15.
J Am Chem Soc. 2016.
PMID: 27281231
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How heteroepitaxy occurs on strontium titanate.
Cook S, Letchworth-Weaver K, Tung IC, Andersen TK, Hong H, Marks LD, Fong DD.
Cook S, et al. Among authors: letchworth weaver k.
Sci Adv. 2019 Apr 12;5(4):eaav0764. doi: 10.1126/sciadv.aav0764. eCollection 2019 Apr.
Sci Adv. 2019.
PMID: 30993200
Free PMC article.
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